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RSC - Phys. Chem. Chem. Phys. latest articles

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On standardised moments of force distribution in simple liquids

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP04056A, PaperJonathan Utterson, Radek ErbanThe force distribution of a tagged atom in a Lennard-Jones fluid in the canonical ensemble is studied with a focus on its dependence on inherent physical parameters: number density (n)...The content of this RSS Feed (c) The Royal Society of...

Halogen and Structure Sensitivity of Halobenzene Adsorption on Copper Surfaces

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05660C, PaperChristina Schunke, Daniel Patrick Miller, Eva Zurek, Karina MorgensternThe adsorption orientation of molecules on surfaces influences their reactivity, but it is still challenging to tailor the interactions that govern their orientation. Here, we investigate how the substituent...

Simulating X-ray Photoelectron Spectra With Strong Electron Correlation Using Multireference Algebraic Diagrammatic Construction Theory

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05476G, PaperCarlos Eduardo E. V. Vieira de Moura, Alexander Yu. SokolovWe present a new theoretical approach for the simulations of X-ray photoelectron spectra of strongly correlated molecular systems that combines multireference algebraic diagrammatic construction theory (MR-ADC) [J....

Realization of 18.97% theoretical efficiency of 0.9 μm Thick c-Si/ZnO Heterojunction Ultrathin-film Solar Cells via Surface Plasmon Resonance Enhancement

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05119A, PaperFei Zhao, Jiangchuan Lin, Zhenhua Lei, Zao Yi, Feng Qin, Jianguo Zhang, Li Liu, xianwen WU, Wenxing Yang, Pinghui WuIn this work, we demonstrate that the performance of c-Si/ZnO heterojunction ultrathin-film solar cells (SCs) is enhanced by an integrated structure of...

Metal-nanocluster Science and Technology: My Personal History and Outlook

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05689A, Perspective Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Yuichi NegishiMetal nanoclusters (NCs) are among the leading targets in research of nanoscale materials, and elucidation of their properties (science) and development...

Photoelectron elliptical dichroism spectroscopy of resonance-enhanced multiphoton ionization via the 3s, 3p and 3d Rydberg series in Fenchone.

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05618B, PaperSandra Beauvarlet, Etienne Bloch, Debobrata Rajak, Dominique Descamps, Baptiste Fabre, stephane Petit, bernard Pons, Yann Mairesse, Valérie BlanchetThe resonance-enhanced multiphoton ionization of chiral molecules by elliptically polarized laser pulses produces photoelectron...

Quasiparticle dynamics and phonon softening in FeSe0.9S0.1 superconductors

Phys. Chem. Chem. Phys., 2022, Advance ArticleDOI: 10.1039/D1CP04814G, PaperYuxian Wu, Jia Guo, Ning Li, Yong Li, Yongliang Chen, Weizheng Liang, Yong ZhaoThe quasiparticle and longitudinal acoustic coherent phonon dynamics of the FeSe0.9S0.1 single crystal were investigated by femtosecond transient optical spectroscopy.To cite this article before page...

An Experimental and Computational Study of the Reaction Between 2-Methylallyl Radicals and Oxygen Molecules: Optimizing Master Equation Parameters with Trace Fitting

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D1CP05591G, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Timo Pekkanen, Raimo Timonen, Struan Robertson, György Lendvay, Satya Joshi, Timo Reijonen, Arkke EskolaWe have investigated the reaction between 2-methylallyl radicals and...

Clarification of acid site location in MSE-type zeolites by spectroscopic approaches combined with catalytic activity: Comparison between UZM-35 and MCM-68

Phys. Chem. Chem. Phys., 2022, Accepted ManuscriptDOI: 10.1039/D2CP00215A, PaperHiroto Toyoda, Ryota Osuga, Yong Wang, Sungsik Park, Koji Yazawa, Hermann Gies, Christopher J. Gilbert, Bilge Yilmaz, Chandrashekhar P. Kelkar, Toshiyuki YokoiMSE-type zeolites synthesized by different organic structure-directing agents (OSDAs), UZM-35 and MCM-68, were prepared....

Diffusion Monte Carlo evaluation of disiloxane linearisation barrier

Phys. Chem. Chem. Phys., 2022, Advance ArticleDOI: 10.1039/D1CP01471D, Paper Open Access   This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.Adie Tri Hanindriyo, Amit Kumar Singh Yadav, Tom Ichibha, Ryo Maezono, Kousuke Nakano, Kenta HongoThis work investigates the linearisation barrier of disiloxane using the fixed...

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